SCHEMBL9842871

SCHEMBL9842871

COC(=O)CCCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)nc1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.54
PTGIR P43119 3/20 0.49
TP53 P04637 1/20 0.47
LTB4R Q15722 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KDM5B Q9UGL1 1/20 0.40
PTPRC P08575 1/20 0.40
PTPN13 Q12923 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9842920 1.00 FAAH (0.54) FAAHPTGIRTP53LTB4RCA1
SCHEMBL9843045 0.87 PTGIR (0.64) FAAHPTGIRLTB4RTSHR
SCHEMBL9842917 0.87 PTGIR (0.64) FAAHPTGIRLTB4RTSHR
SCHEMBL9205538 0.81 PTGIR (0.74) FAAHPTGIRTP53LTB4RKDM5B
SCHEMBL9202422 0.81 PTGIR (0.74) FAAHPTGIRTP53LTB4RKDM5B
SCHEMBL9771000 0.79 KMT2A (0.57) FAAHPTGIRTP53LTB4RTSHR
SCHEMBL9770961 0.79 KMT2A (0.57) FAAHPTGIRTP53LTB4RTSHR
SCHEMBL8103988 0.76 FAAH (0.61) FAAHPTGIRTP53LTB4RKDM5B
SCHEMBL9761768 0.76 FAAH (0.52) FAAHPTGIRTP53LTB4RPTPRC
SCHEMBL5251124 0.76 HDAC3 (0.53) FAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442448-A2 Heterocyclic carboxylic acids and esters Bristol-Myers Squibb Company (US) 1991-08-21 EP claimed
US-4983610-A BLOOD PLATELET AGGREGATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1991-01-08 US claimed
EP-0442448-A2 Heterocyclic carboxylic acids and esters Bristol-Myers Squibb Company (US) 1991-08-21 EP disclosed
US-4983610-A BLOOD PLATELET AGGREGATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1991-01-08 US disclosed